============================ CONTENTS ============================

    1. INTRODUCTION AND HIGHLIGHTS OF RELEASE 4.82
    2. LICENSING
    3. DETAILS OF CHANGES MADE IN RELEASE 4.82
    4. BUGS FIXED FOR VERSION 4.82
    5. KNOWN LIMITATIONS IN VERSION 4.82


========= 1. INTRODUCTION AND HIGHLIGHTS OF RELEASE 4.82 =========

DAYLIGHT CIS SOFTWARE, VERSION 4.82

This document describes changes and features specific to
version 4.82 of Daylight Chemical Information Systems
software.  Note that 4.82 does not include machine-specific
readme files.  The information contained in the previous
machine-specific 4.81 readmes still applies.

Version 4.82 includes bug fixes, new Daycart features, new HTTP 
toolkit-based SMI2GIF and DEPICT utilities, and the new property
package.

The software distribution contains an install script and another tar file.
The installation script, named install.daylight.v482, is used to perform
the upgrade from version 4.81 to 4.82.  Execute 'install.daylight.v482'
to interactively configure and upgrade your software.  For options, give
the command 'install.daylight.v482 -help'.

========================== 2. LICENSING ==========================

Usage and Evaluation Licenses

   The usage license for the Daylight software is accessible at
   http://www.daylight.com/cgi-bin/download.cgi. This license
   is also included with the software. For any further
   clarification, contact our business office at 949-367-9990. 

====================== 3. DETAILS OF CHANGES =====================

New SMI2GIF & DEPICT Web Interfaces
   
   The release includes new HTTP toolkit-based version of the
   SMi2GIF and DEPICT utilities.  They are located in the
   $DY_ROOT/dayhttp directory.  Instructions on use of the
   utility can be found at $DY_ROOT/dayhtml/doc/dayhttp/index.html.
   
Depict Toolkit

   Layout of structure with fully or partially specified
   coordinates is possible.  Programmers can set all coordinates
   of a structure or set a substructure then use the DEPICT Toolkit
   to layout the remaining portion.  Users can view structures with
   the 2D-coordinates datatype in THOR and MERLIN applications.
   For more information, see the manual pages on dt_setcoord,
   dt_calcxy, xvthor, and xvmerlin.

Oracle Cartridge

   There are several new functions in Daycart.  The function
   ddpackage.fsetinfo() is a new generic utility for setting
   session-level properties of Daycart.  Two functions for
   structure normalization (vcs_desalt() and vcs_normalize()) 
   can be used to support registration functions.  These two
   functions operate based on tables of user-defined rules so
   they are customizable based on each sites business rules.

Property Package

   A new tool allows the calculation of a large number of 
   molecular properties which are commonly used in compound
   screening.  The calculations can be performed on TDT files
   and also perfomed within Oracle using Daycart.

CLOGP/CMR Programs

   The ClogP and CMR programs have a new option "PCMODELS_ERRORWORST"
   which can be set to suppress output above a user-defined 
   error threshold.  High-error computations can easily be
   ignored.

========================== 4. BUGS FIXED ==========================

>   Problem with [HH] as a valid SMILES.  Previously, both
    [HH] and [H][H] were valid input and didn't canonicalize to the
    same structure. (#638)

>   Documentation for dt_alloc_program() clarfied regarding
    the required welcome message.  Also now handles bad program objects
    more gracefully if they don't start. (#707)

>   Partially-set coordinates on chiral depictions caused
    core dump.  (#713)

>   Certain rare depictions caused core dumps. (#750)

>   Oscillating smiles with Fischer chirality. (#760)

>   xvmerlin dblist had an arbitrary limit of 100 opened
    pools.  Previously valid pools would disappear from the xvmerlin
    pool menu. (#773)

>   64-bit toolkits crashed on certain ring structures.  This
    was due an internal memory alignment problem. (#775)

>   dt_smarts_opt() didn't work.  It always returned the input
    string. (#776)

>   In rubicon, stereo structures always returned the same
    coordinates.  The rubicon rule file shipped with 4.81 was incorrect.
    (#777)

>   For transforms which added atoms with explicit hydrogens,
    the dt_transform() function lost track of those explicit hydrogens. 
    Chirality on the atom was also lost. (#779)

>   In Daycart, the matches() query missed hits for certain
    classes of queries with multiple aromatic rings. (#780)

>   The toolkits limit of 64K atoms and bonds has been
    removed. (#781)

>   Network license data transfers (using DY_DALI_SERVER or
    DY_DALI_AUTHORITY) over 13Kbytes caused a crash. (#782)

>   SMILES query processing in merlinserver and Daycart for
    queries with [2H] or [3H] caused these searches to fail. (#783)

>   Disconnected atoms, when depicted in terse mode (with 
    suppress or schematic true) were invisible.  All disconnected atoms
    are drawn verbosely, regardless of mode. (#785)

>   The error messages dumped from clogptalk were incorrect if
    requested before any computations were done.  This was an initialization
    problem. (#786)

>   SMARTS processing of directional ring-closures (eg. ...C/1...)
    were sometimes incorrect. (#787)

>   dt_setbondstyles() after dt_calcxy() caused crash for structures
    with implicit hydrogens. (#788)


========================== 5. KNOWN LIMITATIONS ===================

>   Cost-based optimizer statistics for Daycart do not work for CLOB
    searches.  Also, there seem to be discrepancies in execution plans which
    are chosen depending on the Oracle version (8i vs 9i).  If you choose to
    use the optimizer statistics provided with this release, please make 
    sure to check the behavior and statistics on your application carefully.
    This is an issue which is being addressed with Oracle.